METHYL 5,6-DICHLORONICOTINATE

Base Information

• Chemical Name: METHYL 5,6-DICHLORONICOTINATE
• CAS No.: 56055-54-0
• Molecular Formula: C7H5 Cl2 N O2
• Molecular Weight: 206.028
• Hs Code.: 2933399090
• European Community (EC) Number: 813-459-4
• DSSTox Substance ID: DTXSID90381956
• Nikkaji Number: J308.863D
• Wikidata: Q82173180
• Mol file: 56055-54-0.mol

Synonyms:2,3-Dichloro-5-(methoxycarbonyl)pyridine;2,3-Dichloro-5-pyridinecarboxylic acid methyl ester; 5,6-Dichloronicotinic acidmethyl ester; Methyl 2,3-dichloro-5-pyridinecarboxylate; Methyl5,6-dichloronicotinate; Methyl 5,6-dichloropyridine-3-carboxylate

Chemical Property of METHYL 5,6-DICHLORONICOTINATE

Chemical Property:

• Vapor Pressure: 0.00915mmHg at 25°C
• Melting Point: 63-65°C
• Boiling Point: 265.5°Cat760mmHg
• PKA: -2.84±0.10(Predicted)
• Flash Point: 114.3°C
• PSA: 39.19000
• Density: 1.426g/cm³
• LogP: 2.17500
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 204.9697338
• Heavy Atom Count: 12
• Complexity: 177

Purity/Quality:

98%min ^*data from raw suppliers

Methyl5,6-dichloronicotinate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=C(N=C1)Cl)Cl

Technology Process of METHYL 5,6-DICHLORONICOTINATE

There total 13 articles about METHYL 5,6-DICHLORONICOTINATE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

5,6-dichloronicotinic acid (41667-95-2) + diazomethyl-trimethyl-silane (18107-18-1) → methyl 2,3-dichloro-pyridine-5-carboxylate (56055-54-0)

Guidance literature:

In methanol; hexanes; toluene; at 0 ℃; for 12 - 18h;

Reference yield: 100.0%

methanol (67-56-1) + 5,6-dichloronicotinoyl chloride (54127-29-6) → methyl 2,3-dichloro-pyridine-5-carboxylate (56055-54-0)

Guidance literature:

In pyridine;

Reference yield: 99.0%

methanol (67-56-1) → methyl 2,3-dichloro-pyridine-5-carboxylate (56055-54-0)

Guidance literature:

5,6-dichloronicotinic acid; With thionyl chloride; N,N-dimethyl-formamide; at 105 ℃; for 1h;

methanol; at 0 - 20 ℃; for 0.5h;

upstream raw materials:

methanol

5,6-dichloronicotinoyl chloride

5,6-dichloronicotinic acid

diazomethyl-trimethyl-silane

Downstream raw materials:

methyl 5-chloropyridine-3-carboxylate

methyl 5-chloro-6-methoxypyridine-3-carboxylate

dimethyl 3-chloropyridine-2,5-dicarboxylate

methyl (R)-5-chloro-6-(3-methylpiperazin-1-yl)nicotinate

Refernces

• 1、 -. "Novel compounds". Paragraph 0063. . Retrieved 2017/09/27.
• 2、 -. "NOVEL COMPOUNDS". Page/Page column 14. . Retrieved 2015/12/18.